[(2S,4R)-4-(dimethylamino)-1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]pyrrolidin-2-yl]methanol

C14H26N4O — CID 50967537

IUPAC[(2S,4R)-4-(dimethylamino)-1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]pyrrolidin-2-yl]methanol
SMILESCCc1nc(CN2C[C@H](N(C)C)C[C@H]2CO)c(C)[nH]1
InChIInChI=1S/C14H26N4O/c1-5-14-15-10(2)13(16-14)8-18-7-11(17(3)4)6-12(18)9-19/h11-12,19H,5-9H2,1-4H3,(H,15,16)/t11-,12+/m1/s1
InChIKeyXKVRSORVVVXDDO-NEPJUHHUSA-N
MW266.39 g/mol
LogP0.78
Rot. Bonds5

About [(2S,4R)-4-(dimethylamino)-1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]pyrrolidin-2-yl]methanol

[(2S,4R)-4-(dimethylamino)-1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]pyrrolidin-2-yl]methanol (PubChem CID 50967537) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is [(2S,4R)-4-(dimethylamino)-1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,4R)-4-(dimethylamino)-1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]pyrrolidin-2-yl]methanol
PubChem CID50967537
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name[(2S,4R)-4-(dimethylamino)-1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]pyrrolidin-2-yl]methanol
SMILESCCc1nc(CN2C[C@H](N(C)C)C[C@H]2CO)c(C)[nH]1
InChIInChI=1S/C14H26N4O/c1-5-14-15-10(2)13(16-14)8-18-7-11(17(3)4)6-12(18)9-19/h11-12,19H,5-9H2,1-4H3,(H,15,16)/t11-,12+/m1/s1
InChIKeyXKVRSORVVVXDDO-NEPJUHHUSA-N
XLogP0.78
TPSA55.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2S,4R)-4-(dimethylamino)-1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S,4R)-4-(dimethylamino)-1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]pyrrolidin-2-yl]methanol (CID 50967537) is [(2S,4R)-4-(dimethylamino)-1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S,4R)-4-(dimethylamino)-1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S,4R)-4-(dimethylamino)-1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]pyrrolidin-2-yl]methanol is CCc1nc(CN2C[C@H](N(C)C)C[C@H]2CO)c(C)[nH]1.
What is the InChIKey of [(2S,4R)-4-(dimethylamino)-1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]pyrrolidin-2-yl]methanol?
The InChIKey is XKVRSORVVVXDDO-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H26N4O/c1-5-14-15-10(2)13(16-14)8-18-7-11(17(3)4)6-12(18)9-19/h11-12,19H,5-9H2,1-4H3,(H,15,16)/t11-,12+/m1/s1.
What are the key properties of [(2S,4R)-4-(dimethylamino)-1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]pyrrolidin-2-yl]methanol?
[(2S,4R)-4-(dimethylamino)-1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]pyrrolidin-2-yl]methanol has a molecular weight of 266.39 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R)-4-(dimethylamino)-1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 50967537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).